UCSF

ZINC09461160

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 37 No

Popular Name: 5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(3-methoxybenzoyl)-1-(6-methylbenzothiazol-2-yl)-5H-pyrrol 5-(3-ethoxy-4-hydroxy-phenyl)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.81 9.54 -60.67 1 8 -1 112 515.567 7 ↓
Mid Mid (pH 6-8) 5.25 8.5 -28.23 2 8 0 109 516.575 6 ↓
Mid Mid (pH 6-8) 4.22 9.49 -22.23 1 8 0 106 516.575 7 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )